N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide

C20H19FN4O2S — CID 55793795

IUPACN-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide
SMILESCc1csc(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)n1
InChIInChI=1S/C20H19FN4O2S/c1-13-12-28-18(24-13)11-23-20(27)25-16-8-6-14(7-9-16)19(26)22-10-15-4-2-3-5-17(15)21/h2-9,12H,10-11H2,1H3,(H,22,26)(H2,23,25,27)
InChIKeyPNCVEVSCLJCERQ-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.84
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide

N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide (PubChem CID 55793795) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide
PubChem CID55793795
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide
SMILESCc1csc(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)n1
InChIInChI=1S/C20H19FN4O2S/c1-13-12-28-18(24-13)11-23-20(27)25-16-8-6-14(7-9-16)19(26)22-10-15-4-2-3-5-17(15)21/h2-9,12H,10-11H2,1H3,(H,22,26)(H2,23,25,27)
InChIKeyPNCVEVSCLJCERQ-UHFFFAOYSA-N
XLogP3.84
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453
methyl 2-[[4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzoyl]amino]acetate
CID 55699116
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
3-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110474815
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 46327515
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025581
3-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzoic acid
CID 81497746
1-(3-aminophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 54962764
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide
CID 55769855
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide (CID 55793795) is N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide is Cc1csc(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide?
The InChIKey is PNCVEVSCLJCERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-13-12-28-18(24-13)11-23-20(27)25-16-8-6-14(7-9-16)19(26)22-10-15-4-2-3-5-17(15)21/h2-9,12H,10-11H2,1H3,(H,22,26)(H2,23,25,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide?
N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide has a molecular weight of 398.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide is sourced from PubChem (CID 55793795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).